5-[(2-chlorophenyl)methylamino]-N-(2-cyanophenyl)pyridine-3-carboxamide

C20H15ClN4O — CID 109233966

IUPAC5-[(2-chlorophenyl)methylamino]-N-(2-cyanophenyl)pyridine-3-carboxamide
SMILESN#Cc1ccccc1NC(=O)c1cncc(NCc2ccccc2Cl)c1
InChIInChI=1S/C20H15ClN4O/c21-18-7-3-1-6-15(18)12-24-17-9-16(11-23-13-17)20(26)25-19-8-4-2-5-14(19)10-22/h1-9,11,13,24H,12H2,(H,25,26)
InChIKeyCLZPMWHMHILKOV-UHFFFAOYSA-N
MW362.82 g/mol
LogP4.47
Rot. Bonds5

About 5-[(2-chlorophenyl)methylamino]-N-(2-cyanophenyl)pyridine-3-carboxamide

5-[(2-chlorophenyl)methylamino]-N-(2-cyanophenyl)pyridine-3-carboxamide (PubChem CID 109233966) has the molecular formula C20H15ClN4O and a molecular weight of 362.82 g/mol. Its IUPAC name is 5-[(2-chlorophenyl)methylamino]-N-(2-cyanophenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[(2-chlorophenyl)methylamino]-N-(2-cyanophenyl)pyridine-3-carboxamide
PubChem CID109233966
Molecular FormulaC20H15ClN4O
Molecular Weight362.82 g/mol
Exact Mass362.09
IUPAC Name5-[(2-chlorophenyl)methylamino]-N-(2-cyanophenyl)pyridine-3-carboxamide
SMILESN#Cc1ccccc1NC(=O)c1cncc(NCc2ccccc2Cl)c1
InChIInChI=1S/C20H15ClN4O/c21-18-7-3-1-6-15(18)12-24-17-9-16(11-23-13-17)20(26)25-19-8-4-2-5-14(19)10-22/h1-9,11,13,24H,12H2,(H,25,26)
InChIKeyCLZPMWHMHILKOV-UHFFFAOYSA-N
XLogP4.47
TPSA77.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.82
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(2-chlorophenyl)methylamino]-N-(4-cyanophenyl)pyridine-3-carboxamide
CID 109233968
5-N-(2-chlorophenyl)-3-N-(2-cyanophenyl)pyridine-3,5-dicarboxamide
CID 109108776
N-(2-cyanophenyl)-5-[(4-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109232741
N-(2-cyanophenyl)-5-(furan-2-ylmethylamino)pyridine-3-carboxamide
CID 109231622
N-(2-cyanophenyl)-5-(3,5-dichloroanilino)pyridine-3-carboxamide
CID 109246343
5-(benzylamino)-N-(2-chlorophenyl)pyridine-3-carboxamide
CID 109231871
5-[(2-chlorophenyl)methylamino]-N-(3-methoxyphenyl)pyridine-3-carboxamide
CID 109233942
N-(2-cyanophenyl)-5-(2-methylanilino)pyridine-3-carboxamide
CID 109241817
5-[(4-chlorophenyl)methylamino]-N-(2-ethylphenyl)pyridine-3-carboxamide
CID 109234109
5-(2-cyanoanilino)-N-(2,6-diethylphenyl)pyridine-3-carboxamide
CID 109243961
N-[(2-chlorophenyl)methyl]-5-(3-cyanoanilino)pyridine-3-carboxamide
CID 109233871
5-[(2-fluorophenyl)methylamino]-N-(2-methylphenyl)pyridine-3-carboxamide
CID 109233450

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chlorophenyl)methylamino]-N-(2-cyanophenyl)pyridine-3-carboxamide?
The IUPAC name of 5-[(2-chlorophenyl)methylamino]-N-(2-cyanophenyl)pyridine-3-carboxamide (CID 109233966) is 5-[(2-chlorophenyl)methylamino]-N-(2-cyanophenyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-[(2-chlorophenyl)methylamino]-N-(2-cyanophenyl)pyridine-3-carboxamide?
The canonical SMILES for 5-[(2-chlorophenyl)methylamino]-N-(2-cyanophenyl)pyridine-3-carboxamide is N#Cc1ccccc1NC(=O)c1cncc(NCc2ccccc2Cl)c1.
What is the InChIKey of 5-[(2-chlorophenyl)methylamino]-N-(2-cyanophenyl)pyridine-3-carboxamide?
The InChIKey is CLZPMWHMHILKOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN4O/c21-18-7-3-1-6-15(18)12-24-17-9-16(11-23-13-17)20(26)25-19-8-4-2-5-14(19)10-22/h1-9,11,13,24H,12H2,(H,25,26).
What are the key properties of 5-[(2-chlorophenyl)methylamino]-N-(2-cyanophenyl)pyridine-3-carboxamide?
5-[(2-chlorophenyl)methylamino]-N-(2-cyanophenyl)pyridine-3-carboxamide has a molecular weight of 362.82 g/mol, XLogP of 4.47, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chlorophenyl)methylamino]-N-(2-cyanophenyl)pyridine-3-carboxamide is sourced from PubChem (CID 109233966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).